International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2007

Volume 107, Issue 4

Pages 769–1027

  1. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. Isomerization study of C5H5NO molecules (pages 769–781)

      S. Vijayakumar and P. Kolandaivel

      Version of Record online: 5 OCT 2006 | DOI: 10.1002/qua.21179

    2. Degeneracy of confined D-dimensional harmonic oscillator (pages 798–806)

      H. E. Montgomery Jr., N. A. Aquino and K. D. Sen

      Version of Record online: 5 OCT 2006 | DOI: 10.1002/qua.21211

    3. Nuclear Fukui functions from nonintegral electron number calculations (pages 807–815)

      Carlos Cárdenas, Eduardo Chamorro, Marcelo Galván and Patricio Fuentealba

      Version of Record online: 2 OCT 2006 | DOI: 10.1002/qua.21202

    4. L2 discretization of Sturmian wave functions for Coulomb-like potentials (pages 832–844)

      A. L. Frapiccini, V. Y. Gonzalez, J. M. Randazzo, F. D. Colavecchia and G. Gasaneo

      Version of Record online: 5 OCT 2006 | DOI: 10.1002/qua.21220

    5. Atomic and molecular cubature grids (pages 845–857)

      G. G. Hall and D. Rees

      Version of Record online: 10 OCT 2006 | DOI: 10.1002/qua.21207

  2. Properties, Dynamics, and Electronic Structure of Atoms and Molecules

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. Convergence of an s-Wave calculation of the He ground state (pages 907–920)

      J. Mitroy, M. W. J. Bromley and K. Ratnavelu

      Version of Record online: 10 OCT 2006 | DOI: 10.1002/qua.21217

    2. Reorganization of highly preorganized hosts upon cation complexation: Ab initio study of fluorospherands (pages 930–936)

      Shabaan A. K. Elroby, Kyu Hwan Lee, Jung Soo Oh, Hwan Won Chung, Seung Joo Cho and Kyungsoo Paek

      Version of Record online: 4 OCT 2006 | DOI: 10.1002/qua.21208

    3. Electron affinity of exotic systems under Debye plasma (pages 946–951)

      S. Bhattacharyya, A. N. Sil, T. K. Mukherjee, P. K. Mukherjee and P. Vasu

      Version of Record online: 10 OCT 2006 | DOI: 10.1002/qua.21228

    4. Time-dependent density functional theory studies of the electronic absorption spectra of metallophthalocyanines of group IVA (pages 952–961)

      Yuexing Zhang, Xue Cai, Xianxi Zhang, Hui Xu, Zhongqiang Liu and Jianzhuang Jiang

      Version of Record online: 5 OCT 2006 | DOI: 10.1002/qua.21215

  3. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. Geometrical thermodynamic field theory (pages 968–987)

      Giorgio Sonnino and Jarah Evslin

      Version of Record online: 5 OCT 2006 | DOI: 10.1002/qua.21134

    2. Structure and dissociation energy of weakly bound Hmath image (n = 5−8) complexes (pages 988–997)

      Hyun-Il Seo, Ju-Yong Sun, Chang-Ho Shin and Seung-Joon Kim

      Version of Record online: 17 OCT 2006 | DOI: 10.1002/qua.21212

  4. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. Theoretical structure of the low-laying electronic states of the molecule YBr (pages 998–1007)

      S. Abdul-Al, M. Korek, A. R. Allouche and M. Aubert Frécon

      Version of Record online: 17 OCT 2006 | DOI: 10.1002/qua.21199

    2. Study of conformational and optical rotation for the alaninamide (pages 1015–1026)

      Shulei Zhao, Zhengyu Zhou, Wenjuan Wang and Hongkun Ma

      Version of Record online: 11 OCT 2006 | DOI: 10.1002/qua.21219

  5. Erratum

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
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